Information card for entry 2234572

Structure parameters

• Chemical name: <i>N</i>-(3-Hydroxyphenyl)nicotinamide
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: Oc1cc(NC(=O)c2cccnc2)ccc1
• Title of publication: <i>N</i>-(3-Hydroxyphenyl)nicotinamide
• Authors of publication: Ge, Chunhua; Zhang, Rui; Zhang, Xiangdong; Zhang, Chenglong; Zhang, Meiyin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1499
• a: 12.1741 ± 0.0013 Å
• b: 5.2613 ± 0.0006 Å
• c: 15.3113 ± 0.0016 Å
• α: 90°
• β: 94.428 ± 0.002°
• γ: 90°
• Cell volume: 977.79 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes